Computational Analysis of the Solid-State and Solvation Properties of Carbamazepine in Relation to its Polymorphism

The solvent-dependent polymorphism of the active pharmaceutical ingredient (API) carbamazepine is interpreted from calculations of the solid-state and API-solvent intermolecular interactions. These simulations suggested that apolar solute-solute interactions could be disrupted by apolar solvents. In contrast, the polar solute-solute interactions were found to be easily disrupted by polar and protic solvents. This is consistent with experimental observations that the crystallization of the metastable form II is more dominant in apolar solvents. The Mercury program remains the gold standard in terms of usability; however, further expansion into more complex simulation techniques could make this package of even greater use in pharmaceutical manufacturing workflows.     

含氮金刚石结构中Jahn-Teller畸变效应的计算

研究了由J.Bourgoin和M.Lannoo提出的半导体内Jahn-Teller畸变效应的计算理论。应用Bourgoin和Lannoo的方法研究了含中心氮杂质金刚石结构的Jahn-Teller畸变问题,计算了34C+N簇团的T2模耦合沿%111&晶向的Jahn-Teller畸变效应,结果与实验相符。     

Thermo-Sensitive Ba0.64Sr0.36TiO3 Thin Film Capacitors for Dielectric Type Uncooled Infrared Sensors

Ba_0.64Sr_0.36TiO₃ (BST) thin films are prepared on Pt/Ti/SiO₂/Si₃N₄/SiO₂/Si substrates by a sol-gel method. Thermo-sensitive BST thin film capacitors with a Metal-Ferroelectrics-Metal (M-F(BST)-M) structure are fabricated as the active elements of dielectric type uncooled infrared sensors. XRD are employed to analyze the crystallographic structures of the films. AFM observations reveal a smooth and dense surface of the films with an average grain size of about 35 nm. Rapid temperature annealing (RTA) process is a very efficient way to improve crystallization quality. The preferable annealing temperature is 800°C for 1 min. The butterfly shaped C-V curves of the capacitors indicate the films have a ferroelectric nature. The dielectric constant and dielectric loss of the films at 100 kHz are 450 and 0.038, respectively. At 25°C, where the thermo-sensitive capacitors work, the temperature coefficient of dielectric constant (TCD) is about 5.9 %/°C. These results indicate that the capacitors with sol-gel derived BST thin films are promising to develop dielectric type uncooled infrared sensors.     

电信运营企业项目融资初探

通过对电信运营企业多渠道融资的必要性的阐述，论证了项目融资是电信运营企业可选的一种融资方式，并有针对性地提出了电信运营企业实施项目融资的模式及应注意的问题。     

Lead-free piezoelectric ceramics with composition of (0.97−x)Na1/2Bi1/2TiO3-0.03NaNbO3-xBaTiO3

Compositions in (Na_1/2Bi_1/2)TiO₃ based ternary system, (0.97 – x) (Na_1/2Bi_1/2)TiO₃-0.03NaNbO₃-xBaTiO₃ (x = 0, 0.01, 0.02, 0.04, 0.05, 0.06, 0.08) are synthesized using conventional solid state reaction method. Influence of BaTiO₃ on crystal structure, dielectric and piezoelectric properties are investigated. All compositions can form single perovskite phase. Powder x-ray diffraction patterns can be indexed assuming a pseudo-cubic structure. Lattice constant increases with the increase of BaTiO₃ concentration. Rhombohedral distortion is observed in poled samples with BaTiO₃ concentration up to 6 mol%. Temperature dependence of dielectric constant and dissipation factor measurement reveals that all compositions experience two phase transitions: from ferroelectric to antiferroelectric and from antiferroelectric to paraelectric. Both transition temperatures, T _c and T _f, are lowered due to introduction of BaTiO₃. Ferroelectric to antiferroelectric phase transition has relaxor characteristics. Piezoelectric properties have relatively higher value around 1 mol% to 4 mol% BaTiO₃. In ceramics with x = 0.02, thickness electromechanical coupling factor (k _t) of 0.51 and piezoelectric charge constant (d ₃₃) of 110 × 10^–12 C/N are obtained. Addition of small amount of BaTiO₃ (x = 0.01, 0.02) improves piezoelectric properties compared to NBT-NN binary system, while T _f remains above 140°C, higher than that of NBT-BT binary system composition with similar piezoelectric properties. This is in favor of the possible application of them as lead-free piezoelectric ceramics.     

单向实时数字视频传输中帧同步锁定技术研究

提出一种适用于单向实时数字视频传输系统的帧同步锁定方案。其方法在接收端采用本地参考时钟、状态机、锁相环，并结合CIMT编码方式实现系统自动维持帧同步锁定，而无需周期性加入帧同步码。对该帧同步锁定方案与周期性加入帧同步码强制锁定方案进行性能比较．并将其应用到单向实时数字视频光纤传输系统中。实验证明，系统自动实现帧同步锁定的方案是单向实时数字视频传输系统实现帧同步锁定的最佳方案。     

新版《建筑抗震设计规范》的主要改进

作者通过新旧抗震设计规范几个方面的对比，简要介绍了抗震设计新规范的主要改进情况，对结构设计人员学习抗震设计新规范有一定的指导作用。     

Attentional Biases for Negative Interpersonal Stimuli in Clinical Depression.

An information-processing paradigm was used to examine attentional biases in clinically depressed participants, participants with generalized anxiety disorder (GAD), and nonpsychiatric control participants for faces expressing sadness, anger, and happiness. Faces were presented for 1,000 ms, at which point depressed participants had directed their attention selectively to depression-relevant (i.e., sad) faces. This attentional bias was specific to the emotion of sadness; the depressed participants did not exhibit attentional biases to the angry or happy faces. This bias was also specific to depression; at 1,000 ms, participants with GAD were not attending selectively to sad, happy, or anxiety-relevant (i.e., angry) faces. Implications of these findings for both the cognitive and the interpersonal functioning of depressed individuals are discussed and directions for future research are advanced. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

MPEG-4 AAC解码器在NIOS Ⅱ平台上的实现和优化

给出了MEPG-4AAC实时解码器在NIOSⅡ平台的实现方案，介绍了MPEG-4AAC—LC解码算法及各关键模块优化算法。在完成实时解码要求下，结合NIOSⅡ平台特性，对解码器在软件代码与处理器上进行优化。实验结果表明CPU时钟为80MHz时能达到实时解码要求。     

身份诈骗日益猖獗主因: 当散兵游勇碰到黑道联盟

军队能够剿灭土匪,因为通常前者军纪严明,而后者为乌合之众;警察能打击歹徒,因为惩治单位比一般罪犯训练有素,如果上述情况反转过来,黑道人物组成联盟, 互通情报,而正义之师只是散兵游勇,那么必然会“道高一尺、魔高一丈”。现今商业活动高度依赖网络,而随之萌生的身份盗窃及诈骗罪行日益猖獗,上述“角色错配”是其中一个主因。